SIMILAR PATTERNS OF AMINO ACIDS FOR 2J2P_B_SC2B1290

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1a80 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE A

(Corynebacterium
sp.) 		PF00248
(Aldo_ket_red) 		4 SER A  63
LEU A  37
LEU A  70
ARG A  42
 None
 0.81A 2j2pA-1a80A:
0.0
2j2pB-1a80A:
0.0		 2j2pA-1a80A:
20.45
2j2pB-1a80A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ciy CRYIA(A)

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 SER A 248
ASP A 251
ARG A 600
GLU A 602
 None
 1.09A 2j2pA-1ciyA:
0.0
2j2pB-1ciyA:
0.0		 2j2pA-1ciyA:
17.53
2j2pB-1ciyA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1go3 DNA-DIRECTED RNA
POLYMERASE SUBUNIT F

(Methanocaldococcus
jannaschii) 		PF03874
(RNA_pol_Rpb4) 		4 SER F  15
LEU F  47
LEU F  76
ASP F  74
 None
 0.97A 2j2pA-1go3F:
undetectable
2j2pB-1go3F:
undetectable		 2j2pA-1go3F:
20.19
2j2pB-1go3F:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hfx ALPHA-LACTALBUMIN

(Cavia porcellus) 		PF00062
(Lys) 		4 LEU A  52
LEU A   3
ASP A  83
ASP A  82
 None
None
None
CA  A 124 (-2.9A)
 1.04A 2j2pA-1hfxA:
0.0
2j2pB-1hfxA:
undetectable		 2j2pA-1hfxA:
18.35
2j2pB-1hfxA:
18.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		4 LEU A 362
LEU A 282
ASP A 365
ARG A 301
 None
 0.56A 2j2pA-1hr7A:
0.0
2j2pB-1hr7A:
0.0		 2j2pA-1hr7A:
19.10
2j2pB-1hr7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1i1q ANTHRANILATE
SYNTHASE COMPONENT
II

(Salmonella
enterica) 		PF00117
(GATase) 		4 LEU B  16
SER B  54
LEU B   5
ASP B   7
 None
 0.99A 2j2pA-1i1qB:
0.0
2j2pB-1i1qB:
0.0		 2j2pA-1i1qB:
22.37
2j2pB-1i1qB:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1iho PANTOATE--BETA-ALANI
NE LIGASE

(Escherichia
coli) 		PF02569
(Pantoate_ligase) 		4 LEU A 215
LEU A 222
ASP A 247
ARG A 220
 None
 1.03A 2j2pA-1ihoA:
0.0
2j2pB-1ihoA:
0.0		 2j2pA-1ihoA:
20.26
2j2pB-1ihoA:
20.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p2z HEXON PROTEIN

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 LEU A 608
SER A 622
LEU A 106
ASP A 107
 None
 1.04A 2j2pA-1p2zA:
0.0
2j2pB-1p2zA:
0.1		 2j2pA-1p2zA:
15.34
2j2pB-1p2zA:
15.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qyc PHENYLCOUMARAN
BENZYLIC ETHER
REDUCTASE PT1

(Pinus taeda) 		PF05368
(NmrA) 		4 LEU A 213
SER A 152
LEU A 215
ASP A 117
 None
 1.06A 2j2pA-1qycA:
0.0
2j2pB-1qycA:
0.0		 2j2pA-1qycA:
21.98
2j2pB-1qycA:
21.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 SER A 189
LEU A 209
LEU A 205
ASP A 155
 None
None
None
SAM  A 501 (-3.7A)
 0.94A 2j2pA-1r30A:
undetectable
2j2pB-1r30A:
0.0		 2j2pA-1r30A:
20.95
2j2pB-1r30A:
20.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8g HYPOTHETICAL PROTEIN
YBDK

(Escherichia
coli) 		PF04107
(GCS2) 		4 LEU A 211
LEU A 223
ASP A 222
ASP A 218
 None
 0.91A 2j2pA-1r8gA:
undetectable
2j2pB-1r8gA:
undetectable		 2j2pA-1r8gA:
21.85
2j2pB-1r8gA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tt4 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF04107
(GCS2) 		4 LEU A 211
LEU A 223
ASP A 222
ASP A 218
 None
 0.91A 2j2pA-1tt4A:
undetectable
2j2pB-1tt4A:
undetectable		 2j2pA-1tt4A:
20.60
2j2pB-1tt4A:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ufb TT1696 PROTEIN

(Thermus
thermophilus) 		PF05168
(HEPN) 		4 LEU A  42
LEU A  65
ASP A  64
ASP A  60
 None
 1.07A 2j2pA-1ufbA:
undetectable
2j2pB-1ufbA:
undetectable		 2j2pA-1ufbA:
18.60
2j2pB-1ufbA:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xup GLYCEROL KINASE

(Enterococcus
casseliflavus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 LEU O 192
SER O 212
LEU O 208
ASP O 206
 None
 0.86A 2j2pA-1xupO:
undetectable
2j2pB-1xupO:
undetectable		 2j2pA-1xupO:
17.78
2j2pB-1xupO:
17.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2d39 FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		6 SER A 129
LEU A 145
ASP A 147
ASP A 149
ARG A 160
GLU A 320
 None
 0.48A 2j2pA-2d39A:
32.9
2j2pB-2d39A:
33.3		 2j2pA-2d39A:
81.65
2j2pB-2d39A:
81.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 LEU A 179
LEU A 133
ASP A 135
ARG A 145
 None
 0.80A 2j2pA-2ecfA:
undetectable
2j2pB-2ecfA:
undetectable		 2j2pA-2ecfA:
15.30
2j2pB-2ecfA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fbv WERNER SYNDROME
HELICASE

(Homo sapiens) 		PF01612
(DNA_pol_A_exo1) 		4 SER A  66
LEU A 124
LEU A 102
ASP A  68
 None
 1.02A 2j2pA-2fbvA:
undetectable
2j2pB-2fbvA:
undetectable		 2j2pA-2fbvA:
21.49
2j2pB-2fbvA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		4 SER A 206
LEU A 209
SER A 207
ASP A 231
 None
 1.06A 2j2pA-2fvzA:
undetectable
2j2pB-2fvzA:
undetectable		 2j2pA-2fvzA:
19.49
2j2pB-2fvzA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g5t DIPEPTIDYL PEPTIDASE
4

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 LEU A 410
SER A 412
LEU A 436
ASP A 413
 None
 1.09A 2j2pA-2g5tA:
undetectable
2j2pB-2g5tA:
undetectable		 2j2pA-2g5tA:
15.05
2j2pB-2g5tA:
15.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfg BH2851

(Bacillus
halodurans) 		PF01928
(CYTH) 		4 LEU A  67
LEU A 108
ASP A 107
ASP A 103
 None
 0.99A 2j2pA-2gfgA:
undetectable
2j2pB-2gfgA:
undetectable		 2j2pA-2gfgA:
20.44
2j2pB-2gfgA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		4 SER A  23
LEU A  27
ARG A  16
GLU A  30
 None
 1.07A 2j2pA-2hoeA:
undetectable
2j2pB-2hoeA:
undetectable		 2j2pA-2hoeA:
18.16
2j2pB-2hoeA:
18.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iyo 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
DECARBOXYLATING

(Lactococcus
lactis) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		4 LEU A  87
LEU A  97
ASP A  95
ASP A  92
 None
 1.09A 2j2pA-2iyoA:
undetectable
2j2pB-2iyoA:
undetectable		 2j2pA-2iyoA:
19.39
2j2pB-2iyoA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jda YECBM32

(Yersinia
enterocolitica) 		PF00754
(F5_F8_type_C) 		4 LEU A  91
LEU A 103
ARG A 142
GLU A 101
 None
 0.79A 2j2pA-2jdaA:
undetectable
2j2pB-2jdaA:
undetectable		 2j2pA-2jdaA:
23.27
2j2pB-2jdaA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lle CHEMOTAXIS PROTEIN
CHEY, IMIDAZOLE
GLYCEROL PHOSPHATE
SYNTHASE SUBUNIT
HISF CHIMERA

(Thermotoga
maritima) 		PF00072
(Response_reg)
PF00977
(His_biosynth) 		4 SER A 151
LEU A 149
ASP A 162
ASP A 153
 None
 1.10A 2j2pA-2lleA:
undetectable
2j2pB-2lleA:
undetectable		 2j2pA-2lleA:
18.33
2j2pB-2lleA:
18.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o5v DNA REPLICATION AND
REPAIR PROTEIN RECF

(Deinococcus
radiodurans) 		PF02463
(SMC_N) 		4 SER A 319
LEU A 316
ARG A 280
GLU A 284
 None
 1.06A 2j2pA-2o5vA:
undetectable
2j2pB-2o5vA:
undetectable		 2j2pA-2o5vA:
19.45
2j2pB-2o5vA:
19.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2obe HEXON

(Human
mastadenovirus
E) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 LEU A 573
SER A 587
LEU A 106
ASP A 107
 None
 1.06A 2j2pA-2obeA:
undetectable
2j2pB-2obeA:
undetectable		 2j2pA-2obeA:
13.27
2j2pB-2obeA:
13.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oq3 MANNITOL-SPECIFIC
CRYPTIC
PHOSPHOTRANSFERASE
ENZYME IIA COMPONENT

(Escherichia
coli) 		PF00359
(PTS_EIIA_2) 		4 SER A  28
LEU A 100
LEU A  84
ASP A  26
 None
 1.06A 2j2pA-2oq3A:
undetectable
2j2pB-2oq3A:
undetectable		 2j2pA-2oq3A:
20.10
2j2pB-2oq3A:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q8n GLUCOSE-6-PHOSPHATE
ISOMERASE

(Thermotoga
maritima) 		PF00342
(PGI) 		4 SER A  58
LEU A  59
LEU A 189
ASP A  54
 None
 1.00A 2j2pA-2q8nA:
undetectable
2j2pB-2q8nA:
undetectable		 2j2pA-2q8nA:
19.23
2j2pB-2q8nA:
19.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 LEU A1041
LEU A 987
ASP A1014
ARG A1927
 None
 1.08A 2j2pA-2vz9A:
undetectable
2j2pB-2vz9A:
undetectable		 2j2pA-2vz9A:
5.91
2j2pB-2vz9A:
5.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w6r IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISF

(Thermotoga
maritima) 		PF00977
(His_biosynth) 		4 SER A 177
LEU A 175
ASP A 188
ASP A 179
 None
 1.10A 2j2pA-2w6rA:
undetectable
2j2pB-2w6rA:
undetectable		 2j2pA-2w6rA:
20.15
2j2pB-2w6rA:
20.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER F 100
ASP F 118
ASP F 120
ARG F 131
GLU F 291
 None
 0.53A 2j2pA-2wnpF:
39.4
2j2pB-2wnpF:
40.5		 2j2pA-2wnpF:
83.49
2j2pB-2wnpF:
83.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2wnp FICOLIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 SER F 100
LEU F 116
ASP F 118
ASP F 120
ARG F 131
 None
 0.24A 2j2pA-2wnpF:
39.4
2j2pB-2wnpF:
40.5		 2j2pA-2wnpF:
83.49
2j2pB-2wnpF:
83.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y3c TREPONEMA DENTICOLA
VARIABLE PROTEIN 1

(Treponema
denticola) 		PF03781
(FGE-sulfatase) 		4 LEU A 253
SER A 218
ARG A 324
GLU A 262
 None
None
None
CA  A1340 ( 3.4A)
 1.09A 2j2pA-2y3cA:
undetectable
2j2pB-2y3cA:
undetectable		 2j2pA-2y3cA:
22.92
2j2pB-2y3cA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zwi ALPHA-/BETA-GALACTOS
IDE
ALPHA-2,3-SIALYLTRAN
SFERASE

(Photobacterium
phosphoreum) 		PF11477
(PM0188) 		4 LEU A  50
SER A 360
LEU A 209
GLU A 152
 None
C5P  A   1 ( 2.6A)
GOL  A   7 (-4.5A)
GOL  A   5 ( 4.8A)
 0.73A 2j2pA-2zwiA:
undetectable
2j2pB-2zwiA:
undetectable		 2j2pA-2zwiA:
19.94
2j2pB-2zwiA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aly PUTATIVE
UNCHARACTERIZED
PROTEIN ST0753

(Sulfurisphaera
tokodaii) 		PF13456
(RVT_3) 		4 SER A 128
ASP A   7
ASP A 125
GLU A  52
 None
 1.08A 2j2pA-3alyA:
undetectable
2j2pB-3alyA:
undetectable		 2j2pA-3alyA:
19.27
2j2pB-3alyA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3brq HTH-TYPE
TRANSCRIPTIONAL
REGULATOR ASCG

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 LEU A  86
ASP A  93
ASP A  89
ARG A  65
 None
 1.04A 2j2pA-3brqA:
undetectable
2j2pB-3brqA:
undetectable		 2j2pA-3brqA:
19.67
2j2pB-3brqA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dte IRRE PROTEIN

(Deinococcus
deserti) 		PF06114
(Peptidase_M78) 		4 LEU A  99
LEU A  89
ASP A  92
ASP A  94
 None
 1.04A 2j2pA-3dteA:
undetectable
2j2pB-3dteA:
undetectable		 2j2pA-3dteA:
21.85
2j2pB-3dteA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eo6 PROTEIN OF UNKNOWN
FUNCTION (DUF1255)

(Acidithiobacillus
ferrooxidans) 		PF06865
(DUF1255) 		4 SER A  35
LEU A  31
LEU A 102
ARG A  58
 None
 0.92A 2j2pA-3eo6A:
undetectable
2j2pB-3eo6A:
undetectable		 2j2pA-3eo6A:
20.09
2j2pB-3eo6A:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ezo MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Burkholderia
pseudomallei) 		PF00698
(Acyl_transf_1) 		4 LEU A 213
LEU A 110
ASP A 106
ASP A 217
 None
 0.90A 2j2pA-3ezoA:
undetectable
2j2pB-3ezoA:
undetectable		 2j2pA-3ezoA:
18.54
2j2pB-3ezoA:
18.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gyu NUCLEAR HORMONE
RECEPTOR OF THE
STEROID/THYROID
HORMONE RECEPTORS
SUPERFAMILY

(Strongyloides
stercoralis) 		PF00104
(Hormone_recep) 		4 SER A 528
LEU A 573
LEU A 664
ASP A 660
 None
 1.01A 2j2pA-3gyuA:
undetectable
2j2pB-3gyuA:
undetectable		 2j2pA-3gyuA:
22.61
2j2pB-3gyuA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 SER B 446
LEU B 443
LEU B 406
ASP B 454
 None
 0.74A 2j2pA-3h0gB:
undetectable
2j2pB-3h0gB:
undetectable		 2j2pA-3h0gB:
10.28
2j2pB-3h0gB:
10.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k1d 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Mycobacterium
tuberculosis) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		4 LEU A 720
SER A 724
ASP A 687
GLU A 682
 None
 1.07A 2j2pA-3k1dA:
undetectable
2j2pB-3k1dA:
undetectable		 2j2pA-3k1dA:
15.08
2j2pB-3k1dA:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kgw ALANINE-GLYOXYLATE
AMINOTRANSFERASE

(Mus musculus) 		PF00266
(Aminotran_5) 		4 SER A 227
LEU A 210
SER A 228
LEU A 233
 None
None
PLP  A 500 (-3.5A)
None
 1.00A 2j2pA-3kgwA:
undetectable
2j2pB-3kgwA:
undetectable		 2j2pA-3kgwA:
19.25
2j2pB-3kgwA:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khd PYRUVATE KINASE

(Plasmodium
falciparum) 		PF00224
(PK)
PF02887
(PK_C) 		4 LEU A 157
SER A 160
LEU A 204
ASP A 210
 None
 0.96A 2j2pA-3khdA:
undetectable
2j2pB-3khdA:
undetectable		 2j2pA-3khdA:
17.75
2j2pB-3khdA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mi9 CELL DIVISION
PROTEIN KINASE 9

(Homo sapiens) 		PF00069
(Pkinase) 		4 LEU A 137
LEU A 212
ASP A 305
ASP A 307
 None
 0.91A 2j2pA-3mi9A:
undetectable
2j2pB-3mi9A:
undetectable		 2j2pA-3mi9A:
17.87
2j2pB-3mi9A:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mue PANTOTHENATE
SYNTHETASE

(Salmonella
enterica) 		PF02569
(Pantoate_ligase) 		4 LEU A 215
LEU A 222
ASP A 247
ARG A 220
 None
 0.91A 2j2pA-3mueA:
undetectable
2j2pB-3mueA:
undetectable		 2j2pA-3mueA:
19.93
2j2pB-3mueA:
19.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3niz RHODANESE FAMILY
PROTEIN

(Cryptosporidium
parvum) 		PF00069
(Pkinase) 		4 LEU A 229
LEU A 252
ASP A 225
ARG A 256
 None
 1.11A 2j2pA-3nizA:
undetectable
2j2pB-3nizA:
undetectable		 2j2pA-3nizA:
18.73
2j2pB-3nizA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o6u UNCHARACTERIZED
PROTEIN CPE2226

(Clostridium
perfringens) 		PF04205
(FMN_bind) 		4 LEU A 104
SER A 109
LEU A 133
ASP A 111
 None
 1.07A 2j2pA-3o6uA:
undetectable
2j2pB-3o6uA:
undetectable		 2j2pA-3o6uA:
20.81
2j2pB-3o6uA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 SER A 521
LEU A 271
LEU A 308
ARG A 572
 None
 0.92A 2j2pA-3ozxA:
undetectable
2j2pB-3ozxA:
undetectable		 2j2pA-3ozxA:
19.49
2j2pB-3ozxA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r2i EXOTOXIN 5

(Staphylococcus
aureus) 		PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB) 		4 LEU A 231
SER A 187
LEU A 182
ASP A 188
 None
 0.87A 2j2pA-3r2iA:
undetectable
2j2pB-3r2iA:
undetectable		 2j2pA-3r2iA:
21.82
2j2pB-3r2iA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpd METHIONINE SYNTHASE
(B12-INDEPENDENT)

(Shewanella sp.
W3-18-1) 		PF01717
(Meth_synt_2) 		4 LEU A  58
SER A  70
LEU A 129
ASP A  71
 None
 1.02A 2j2pA-3rpdA:
undetectable
2j2pB-3rpdA:
undetectable		 2j2pA-3rpdA:
21.33
2j2pB-3rpdA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s4w FANCONI ANEMIA GROUP
D2 PROTEIN HOMOLOG

(Mus musculus) 		PF14631
(FancD2) 		4 LEU B 534
LEU B 516
ASP B 552
ASP B 551
 None
 0.98A 2j2pA-3s4wB:
undetectable
2j2pB-3s4wB:
undetectable		 2j2pA-3s4wB:
10.26
2j2pB-3s4wB:
10.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uyk NDP-RHAMNOSYLTRANSFE
RASE

(Saccharopolyspora
spinosa) 		PF06722
(DUF1205) 		4 LEU A 171
LEU A 124
ASP A 153
ARG A 127
 None
 1.02A 2j2pA-3uykA:
undetectable
2j2pB-3uykA:
undetectable		 2j2pA-3uykA:
17.84
2j2pB-3uykA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zok 3-DEHYDROQUINATE
SYNTHASE

(Actinidia
chinensis) 		PF01761
(DHQ_synthase) 		4 SER A 293
LEU A 349
LEU A 259
ASP A 291
 None
None
PO4  A1380 (-4.5A)
None
 1.08A 2j2pA-3zokA:
undetectable
2j2pB-3zokA:
undetectable		 2j2pA-3zokA:
20.64
2j2pB-3zokA:
20.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 SER A  86
LEU A  83
ASP A 412
ASP A 414
 PEG  A1669 (-4.6A)
None
None
None
 0.96A 2j2pA-3zukA:
undetectable
2j2pB-3zukA:
undetectable		 2j2pA-3zukA:
15.47
2j2pB-3zukA:
15.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ars HISTIDINE ACID
PHOSPHATASE

(Hafnia alvei) 		PF00328
(His_Phos_2) 		4 LEU A 395
ASP A 343
ARG A 340
GLU A  11
 None
 1.07A 2j2pA-4arsA:
undetectable
2j2pB-4arsA:
undetectable		 2j2pA-4arsA:
19.18
2j2pB-4arsA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bza TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		4 LEU A 127
LEU A 113
ASP A 120
ASP A 122
 None
 1.03A 2j2pA-4bzaA:
undetectable
2j2pB-4bzaA:
undetectable		 2j2pA-4bzaA:
22.30
2j2pB-4bzaA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		4 LEU A 127
LEU A 113
ASP A 120
ASP A 122
 None
 1.10A 2j2pA-4c00A:
undetectable
2j2pB-4c00A:
undetectable		 2j2pA-4c00A:
19.29
2j2pB-4c00A:
19.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c1t SUGAR TRANSPORTER
SOLUTE-BINDING
PROTEIN

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		4 LEU A 295
SER A 153
LEU A 264
ASP A 155
 None
 0.94A 2j2pA-4c1tA:
undetectable
2j2pB-4c1tA:
undetectable		 2j2pA-4c1tA:
20.44
2j2pB-4c1tA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f9o HEXOKINASE-1

(Homo sapiens) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 SER A 449
LEU A  93
ASP A  84
ASP A 209
 0NZ  A1002 (-2.8A)
None
0NZ  A1002 (-2.7A)
BGC  A1001 ( 3.0A)
 1.10A 2j2pA-4f9oA:
undetectable
2j2pB-4f9oA:
undetectable		 2j2pA-4f9oA:
13.24
2j2pB-4f9oA:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gn8 REGUCALCIN

(Mus musculus) 		PF08450
(SGL) 		4 SER A  26
SER A  28
LEU A  30
ASP A  43
 None
 0.81A 2j2pA-4gn8A:
undetectable
2j2pB-4gn8A:
undetectable		 2j2pA-4gn8A:
23.21
2j2pB-4gn8A:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gtu GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		4 SER A  25
LEU A  20
LEU A  62
ASP A  64
 None
 1.10A 2j2pA-4gtuA:
undetectable
2j2pB-4gtuA:
undetectable		 2j2pA-4gtuA:
19.76
2j2pB-4gtuA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gwn MEPRIN A SUBUNIT
BETA

(Homo sapiens) 		PF00629
(MAM)
PF01400
(Astacin) 		4 LEU A 568
LEU A 501
ASP A 503
ASP A 572
 None
 1.06A 2j2pA-4gwnA:
undetectable
2j2pB-4gwnA:
undetectable		 2j2pA-4gwnA:
17.56
2j2pB-4gwnA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxr MALONYL COA
SYNTHETASE,
BENZOATE-COA LIGASE
CHIMERIC PROTEIN

(Paraburkholderia
xenovorans;
Rhodopseudomonas
palustris) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		4 LEU A 239
LEU A 228
ASP A 232
ASP A 234
 MLY  A 235 ( 3.6A)
MLY  A 230 ( 4.4A)
MLY  A 235 ( 3.5A)
None
 0.96A 2j2pA-4gxrA:
undetectable
2j2pB-4gxrA:
undetectable		 2j2pA-4gxrA:
17.23
2j2pB-4gxrA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 LEU A 780
SER A 782
LEU A 806
ASP A 783
 None
 0.88A 2j2pA-4gzuA:
undetectable
2j2pB-4gzuA:
undetectable		 2j2pA-4gzuA:
18.89
2j2pB-4gzuA:
18.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hgv FUMARATE HYDRATASE
CLASS II

(Sinorhizobium
meliloti) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		4 LEU A 412
SER A 415
LEU A 418
ASP A 201
 None
 0.97A 2j2pA-4hgvA:
undetectable
2j2pB-4hgvA:
undetectable		 2j2pA-4hgvA:
17.29
2j2pB-4hgvA:
17.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		4 LEU A 164
LEU A 209
ASP A 156
ASP A 157
 None
 0.99A 2j2pA-4ifrA:
undetectable
2j2pB-4ifrA:
undetectable		 2j2pA-4ifrA:
20.18
2j2pB-4ifrA:
20.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iv6 ACYL-COA
DEHYDROGENASE FADE3

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 LEU A 376
LEU A 382
ASP A 383
GLU A 314
 None
 0.99A 2j2pA-4iv6A:
undetectable
2j2pB-4iv6A:
undetectable		 2j2pA-4iv6A:
20.46
2j2pB-4iv6A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jon CENTROSOMAL PROTEIN
OF 170 KDA

(Homo sapiens) 		PF00498
(FHA) 		4 SER A  11
LEU A  95
SER A  10
ARG A  88
 None
 0.84A 2j2pA-4jonA:
undetectable
2j2pB-4jonA:
undetectable		 2j2pA-4jonA:
21.20
2j2pB-4jonA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jza UNCHARACTERIZED
PROTEIN

(Legionella
longbeachae) 		no annotation 4 LEU A 488
LEU A 512
ASP A 481
ASP A 483
 None
 0.89A 2j2pA-4jzaA:
undetectable
2j2pB-4jzaA:
undetectable		 2j2pA-4jzaA:
13.85
2j2pB-4jzaA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4k HYDROXYLAMINE
OXIDOREDUCTASE

(Candidatus
Kuenenia
stuttgartiensis) 		PF13447
(Multi-haem_cyto) 		4 SER A 420
LEU A 422
LEU A 473
ASP A 390
 None
 1.09A 2j2pA-4n4kA:
undetectable
2j2pB-4n4kA:
undetectable		 2j2pA-4n4kA:
18.90
2j2pB-4n4kA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nax GLUTATHIONE
S-TRANSFERASE,
N-TERMINAL DOMAIN
PROTEIN

(Pseudomonas
putida) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A 227
LEU A 218
ARG A 190
GLU A 194
 None
 1.07A 2j2pA-4naxA:
undetectable
2j2pB-4naxA:
undetectable		 2j2pA-4naxA:
19.14
2j2pB-4naxA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nbg TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE

(Janthinobacterium
sp. J3) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		4 LEU A 266
LEU A 368
ASP A 218
ASP A 219
 None
 1.07A 2j2pA-4nbgA:
undetectable
2j2pB-4nbgA:
undetectable		 2j2pA-4nbgA:
20.51
2j2pB-4nbgA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nhy 2-OXOGLUTARATE AND
IRON-DEPENDENT
OXYGENASE
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A  83
LEU A 104
ASP A 102
ASP A  87
 None
 0.91A 2j2pA-4nhyA:
undetectable
2j2pB-4nhyA:
undetectable		 2j2pA-4nhyA:
14.96
2j2pB-4nhyA:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4otk MYCOBACTERIAL ENZYME
RV2971

(Mycobacterium
tuberculosis) 		PF00248
(Aldo_ket_red) 		4 SER A  70
LEU A  44
LEU A  77
ARG A  49
 None
 0.85A 2j2pA-4otkA:
undetectable
2j2pB-4otkA:
undetectable		 2j2pA-4otkA:
21.77
2j2pB-4otkA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		4 LEU A  45
LEU A 284
ASP A  51
ARG A 280
 None
 0.93A 2j2pA-4qa9A:
undetectable
2j2pB-4qa9A:
undetectable		 2j2pA-4qa9A:
21.79
2j2pB-4qa9A:
21.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r9j FICOLIN-2

(Homo sapiens) 		no annotation 6 SER G  91
LEU G 107
ASP G 109
ASP G 111
ARG G 122
GLU G 282
 None
 0.29A 2j2pA-4r9jG:
39.9
2j2pB-4r9jG:
41.0		 2j2pA-4r9jG:
99.08
2j2pB-4r9jG:
99.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 LEU A 151
SER A 148
LEU A 185
ASP A  13
 None
None
None
MN  A 501 (-2.0A)
 1.01A 2j2pA-4rpaA:
undetectable
2j2pB-4rpaA:
undetectable		 2j2pA-4rpaA:
22.08
2j2pB-4rpaA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ruh CYTOSOLIC
NON-SPECIFIC
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 199
LEU A 305
ASP A 283
ARG A 308
 None
 1.08A 2j2pA-4ruhA:
undetectable
2j2pB-4ruhA:
undetectable		 2j2pA-4ruhA:
19.87
2j2pB-4ruhA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ux3 MITOTIC CHROMOSOME
DETERMINANT-RELATED
PROTEIN
STRUCTURAL
MAINTENANCE OF
CHROMOSOMES PROTEIN
3

(Saccharomyces
cerevisiae) 		PF02463
(SMC_N)
PF04825
(Rad21_Rec8_N) 		4 LEU B  89
LEU A1012
ASP B  95
ARG A1015
 None
 1.11A 2j2pA-4ux3B:
undetectable
2j2pB-4ux3B:
undetectable		 2j2pA-4ux3B:
17.43
2j2pB-4ux3B:
17.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aor DOSAGE COMPENSATION
REGULATOR

(Drosophila
melanogaster) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		4 LEU A 348
SER A 352
LEU A 356
ASP A 355
 None
 1.05A 2j2pA-5aorA:
undetectable
2j2pB-5aorA:
undetectable		 2j2pA-5aorA:
10.27
2j2pB-5aorA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c6g AGR133CP
SISTER CHROMATID
COHESION PROTEIN 2

(Eremothecium
gossypii) 		PF10345
(Cohesin_load)
no annotation 		4 LEU B  36
LEU A 394
ASP A 393
ASP A 389
 None
 1.07A 2j2pA-5c6gB:
undetectable
2j2pB-5c6gB:
undetectable		 2j2pA-5c6gB:
20.16
2j2pB-5c6gB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c98 AGAP007691-PB

(Anopheles
gambiae) 		PF00079
(Serpin) 		5 SER A 145
LEU A 111
ASP A 138
ASP A 141
GLU A 113
 None
 1.34A 2j2pA-5c98A:
undetectable
2j2pB-5c98A:
undetectable		 2j2pA-5c98A:
20.28
2j2pB-5c98A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dy1 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Corynebacterium
glutamicum) 		PF00440
(TetR_N) 		4 LEU A 185
SER A 181
LEU A 213
ASP A 183
 None
 0.90A 2j2pA-5dy1A:
undetectable
2j2pB-5dy1A:
undetectable		 2j2pA-5dy1A:
19.68
2j2pB-5dy1A:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 LEU A 176
SER A 201
LEU A 178
ASP A 179
 None
 1.03A 2j2pA-5gr8A:
undetectable
2j2pB-5gr8A:
undetectable		 2j2pA-5gr8A:
14.41
2j2pB-5gr8A:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3e PUTATIVE
DEOXYRIBONUCLEASE-2

(Burkholderia
thailandensis) 		PF03265
(DNase_II) 		4 SER A 178
LEU A 180
LEU A 148
ASP A 175
 None
 0.89A 2j2pA-5i3eA:
undetectable
2j2pB-5i3eA:
undetectable		 2j2pA-5i3eA:
19.78
2j2pB-5i3eA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kh1 INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		4 LEU A 381
ASP A 377
ARG A 425
GLU A 436
 None
 1.05A 2j2pA-5kh1A:
undetectable
2j2pB-5kh1A:
undetectable		 2j2pA-5kh1A:
14.63
2j2pB-5kh1A:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ldn HEXON PROTEIN,HEXON
CAPSID

(Human
mastadenovirus
C) 		PF01065
(Adeno_hexon)
PF03678
(Adeno_hexon_C) 		4 LEU A 592
SER A 606
LEU A 106
ASP A 107
 None
 1.07A 2j2pA-5ldnA:
undetectable
2j2pB-5ldnA:
undetectable		 2j2pA-5ldnA:
13.85
2j2pB-5ldnA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		4 LEU A  13
SER A  26
ASP A  29
ASP A  28
 None
 1.05A 2j2pA-5lq4A:
undetectable
2j2pB-5lq4A:
undetectable		 2j2pA-5lq4A:
17.70
2j2pB-5lq4A:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n4a INTRAFLAGELLAR
TRANSPORT PROTEIN 80

(Chlamydomonas
reinhardtii) 		no annotation 4 LEU A 347
LEU A 330
ASP A 328
ASP A 321
 None
 0.91A 2j2pA-5n4aA:
undetectable
2j2pB-5n4aA:
undetectable		 2j2pA-5n4aA:
15.89
2j2pB-5n4aA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o19 GENOME POLYPROTEIN

(Japanese
encephalitis
virus) 		no annotation 4 LEU A 321
LEU A 275
ASP A 276
ASP A 278
 None
 1.05A 2j2pA-5o19A:
undetectable
2j2pB-5o19A:
undetectable		 2j2pA-5o19A:
15.21
2j2pB-5o19A:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ooo NON-STRUCTURAL
PROTEIN NS-S

(Rift Valley
fever
phlebovirus) 		PF11073
(NSs) 		4 SER A 119
LEU A 115
LEU A 144
ARG A 147
 None
 1.09A 2j2pA-5oooA:
undetectable
2j2pB-5oooA:
undetectable		 2j2pA-5oooA:
19.53
2j2pB-5oooA:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5opq 3,6-ANHYDRO-D-GALACT
OSIDASE

(Zobellia
galactanivorans) 		no annotation 4 SER A 421
SER A 420
LEU A 480
ASP A 483
 None
 0.57A 2j2pA-5opqA:
undetectable
2j2pB-5opqA:
undetectable		 2j2pA-5opqA:
14.49
2j2pB-5opqA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 LEU D 405
SER D 401
LEU D 340
ASP D 383
 None
 0.82A 2j2pA-5uheD:
undetectable
2j2pB-5uheD:
undetectable		 2j2pA-5uheD:
9.87
2j2pB-5uheD:
9.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uve SUBSTRATE-BINDING
REGION OF ABC-TYPE
GLYCINE BETAINE
TRANSPORT SYSTEM

(Brucella
abortus) 		PF04069
(OpuAC) 		4 SER A 123
LEU A 270
LEU A  39
GLU A  35
 None
 0.77A 2j2pA-5uveA:
undetectable
2j2pB-5uveA:
undetectable		 2j2pA-5uveA:
22.65
2j2pB-5uveA:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 4 LEU A 823
LEU A 872
ASP A 745
GLU A 768
 None
 0.96A 2j2pA-5vanA:
undetectable
2j2pB-5vanA:
undetectable		 2j2pA-5vanA:
17.31
2j2pB-5vanA:
17.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ybw ASPARTATE RACEMASE

(Scapharca
broughtonii) 		no annotation 4 SER A 158
SER A 157
ASP A 160
ARG A 140
 LLP  A  63 ( 4.6A)
None
None
None
 1.02A 2j2pA-5ybwA:
undetectable
2j2pB-5ybwA:
undetectable		 2j2pA-5ybwA:
18.96
2j2pB-5ybwA:
18.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c5d LLAJI.R1

(Helicobacter
pylori) 		no annotation 4 LEU A  92
LEU A 116
ASP A  89
ARG A 112
 None
 1.07A 2j2pA-6c5dA:
undetectable
2j2pB-6c5dA:
undetectable		 2j2pA-6c5dA:
15.21
2j2pB-6c5dA:
15.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c7v -

(-) 		no annotation 4 SER A 172
LEU A 170
ASP A 183
ASP A 174
 None
 1.03A 2j2pA-6c7vA:
undetectable
2j2pB-6c7vA:
undetectable		 2j2pA-6c7vA:
undetectable
2j2pB-6c7vA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fai ESSENTIAL NUCLEAR
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 LEU i 382
LEU i 356
ASP i 389
ASP i 388
 None
 1.08A 2j2pA-6faii:
undetectable
2j2pB-6faii:
undetectable		 2j2pA-6faii:
15.57
2j2pB-6faii:
15.57